# generated using pymatgen
data_Ta2NiSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54910155
_cell_length_b   7.54910155
_cell_length_c   18.64952338
_cell_angle_alpha   72.72597029
_cell_angle_beta   72.72597029
_cell_angle_gamma   26.92481236
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiSe7
_chemical_formula_sum   'Ta4 Ni2 Se14'
_cell_volume   458.28314377
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ta  Ta0  1  0.84728500  0.84728500  0.40002200  1.0
  Ta  Ta1  1  0.15271500  0.15271500  0.59997800  1.0
  Ta  Ta2  1  0.77204000  0.77204000  0.09051900  1.0
  Ta  Ta3  1  0.22796000  0.22796000  0.90948100  1.0
  Ni  Ni4  1  0.31021200  0.31021200  0.20910500  1.0
  Ni  Ni5  1  0.68978800  0.68978800  0.79089500  1.0
  Se  Se6  1  0.64079900  0.64079900  0.01185300  1.0
  Se  Se7  1  0.35920100  0.35920100  0.98814700  1.0
  Se  Se8  1  0.42912900  0.42912900  0.29572700  1.0
  Se  Se9  1  0.57087100  0.57087100  0.70427300  1.0
  Se  Se10  1  0.91247500  0.91247500  0.13951100  1.0
  Se  Se11  1  0.08752500  0.08752500  0.86048900  1.0
  Se  Se12  1  0.16101300  0.16101300  0.17284700  1.0
  Se  Se13  1  0.83898700  0.83898700  0.82715300  1.0
  Se  Se14  1  0.47236900  0.47236900  0.42010300  1.0
  Se  Se15  1  0.52763100  0.52763100  0.57989700  1.0
  Se  Se16  1  0.20502100  0.20502100  0.44423200  1.0
  Se  Se17  1  0.79497900  0.79497900  0.55576800  1.0
  Se  Se18  1  0.74451700  0.74451700  0.29907300  1.0
  Se  Se19  1  0.25548300  0.25548300  0.70092700  1.0